2-(3-oxidanylidene-1,2-dihydropyrazol-4-yl)-5-sulfo-benzoic acid

Systemtic Name: 2-(3-oxidanylidene-1,2-dihydropyrazol-4-yl)-5-sulfo-benzoic acid Openeye Name: 2-(3-oxo-1,2-dihydropyrazol-4-yl)-5-sulfo-benzoic acid CAS Name: 2-(3-oxo-1,2-dihydropyrazol-4-yl)-5-sulfobenzoic acid IUPAC Name: 2-(3-oxo-1,2-dihydropyrazol-4-yl)-5-sulfobenzoic acid Traditional Name: 2-(3-keto-3-pyrazolin-4-yl)-5-sulfo-benzoic acid Formula: C10H8N2O6S MolecularWeight: 284.24532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)C2=CNNC2=O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)C2=CNNC2=O

InChI

InChI=1S/C10H8N2O6S/c13-9-8(4-11-12-9)6-2-1-5(19(16,17)18)3-7(6)10(14)15/h1-4H,(H,14,15)(H2,11,12,13)(H,16,17,18)